SCHEMBL17488145

SCHEMBL17488145

FCc1cc(Nc2ccc3nc(NCc4ccc(Oc5ncc(Cl)cn5)cc4)[nH]c3c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
KDR P35968 6/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAF1 P04049 1/20 0.35
CDK1 P06493 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17488143 0.86 RAB9A (0.40) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488029 0.84 RAB9A (0.43) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488153 0.82 RAB9A (0.43) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17487497 0.81 RAB9A (0.49) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17487821 0.79 RAB9A (0.43) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488038 0.79 KDR (0.42) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488037 0.79 KDR (0.40) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17487480 0.78 RAB9A (0.42) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17488096 0.78 RAB9A (0.42) RAB9ASMN1; SMN2TP53KDRLMNA
SCHEMBL17487499 0.78 RAB9A (0.42) RAB9ASMN1; SMN2TP53KDRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed